mp-1080432/K2Se2O/harm

Harmonic properties

../../_images/fig_bandos_pr16986.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21295.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16985.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216538.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times27683.png

(a) Computation time